Basic information
- CAS
67011-33-0- Standard SMILES
CC(NCC(C)(C)C)C1COc2ccccc2O1- InChIKey
JPDSUSRTWKLSDJ-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 2-(1-neopentylaminoethyl)-
- IUPAC
- N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2,2-dimethylpropan-1-amine
- English name
- 2-(1-Neopentylaminoethyl)-1,4-benzodioxane
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.35
Names & synonyms
2-(1-Neopentylaminoethyl)-1,4-benzodioxaneBRN 131301767011-33-01,4-BENZODIOXAN, 2-(1-NEOPENTYLAMINOETHYL)-RefChem:220069DTXSID80985846N-[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-2,2-dimethylpropan-1-amine1,4-Benzodioxin-2-methanamine, N-(2,2-dimethylpropyl)-2,3-dihydro-α-methyl-
Database identifiers
- CAS
67011-33-0- PubChem CID
- 48840
- DTXSID
DTXSID80985846- Nikkaji
- J71.454B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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